Cas no 105931-36-0 (Xanthosine5'-(tetrahydrogen triphosphate), trisodium salt (9CI))

Xanthosine5'-(tetrahydrogen triphosphate), trisodium salt (9CI) structure
105931-36-0 structure
Product Name:Xanthosine5'-(tetrahydrogen triphosphate), trisodium salt (9CI)
CAS No:105931-36-0
MF:C10H13N4Na2O15P3
MW:568.128846883774
CID:138236
PubChem ID:53398643
Update Time:2025-04-19

Xanthosine5'-(tetrahydrogen triphosphate), trisodium salt (9CI) Chemical and Physical Properties

Names and Identifiers

    • Xanthosine5'-(tetrahydrogen triphosphate), trisodium salt (9CI)
    • disodium,[[[5-(2,6-dioxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
    • XANTHOSINE 5'-TRIPHOSPHATE DISODIUM SALT
    • XANTHOSINE-5'-TRIPHOSPHATE DISODIUM SALT
    • xanthosine 5'-triphosphate 95-98%*sodium
    • DTXSID80694522
    • 105931-36-0
    • Disodium 9-{5-O-[hydroxy({[(hydroxyphosphinato)oxy]phosphinato}oxy)phosphoryl]pentofuranosyl}-3,9-dihydro-1H-purine-2,6-dione
    • disodium;[[[5-(2,6-dioxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
    • XANTHOSINE 5/'-TRIPHOSPHATE DISODIUM SALT
    • Inchi： 1S/C10H15N4O15P3.2Na/c15-5-3(1-26-31(22,23)29-32(24,25)28-30(19,20)21)27-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17;;/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H2,12,13,17,18);;/q;2*+1/p-2
    • InChI Key： VAVBVQQGSPMFDU-UHFFFAOYSA-L
    • SMILES： P(=O)(O)(OP(=O)([O-])OP(=O)([O-])O)OCC1C(C(C(N2C=NC3C(NC(NC2=3)=O)=O)O1)O)O.[Na+].[Na+]

Computed Properties

  • Exact Mass: 567.93900
  • Monoisotopic Mass: 567.939
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 8
  • Complexity: 901
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 291?2

Experimental Properties

  • Density: g/cm3
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 328.14000
  • LogP: -1.74820

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